cis-(1S,3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid

C18H24N2O5 — CID 129397980

IUPACcis-(1S,3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@H]1CCC[C@@H](C(=O)NC2CCN(C(=O)c3ccco3)CC2)C1
InChIInChI=1S/C18H24N2O5/c21-16(12-3-1-4-13(11-12)18(23)24)19-14-6-8-20(9-7-14)17(22)15-5-2-10-25-15/h2,5,10,12-14H,1,3-4,6-9,11H2,(H,19,21)(H,23,24)/t12-,13+/m1/s1
InChIKeyDBUFCHAPDSODHQ-OLZOCXBDSA-N
MW348.40 g/mol
LogP1.89
Rot. Bonds4

About cis-(1S,3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid

cis-(1S,3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 129397980) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is cis-(1S,3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID129397980
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Namecis-(1S,3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)[C@H]1CCC[C@@H](C(=O)NC2CCN(C(=O)c3ccco3)CC2)C1
InChIInChI=1S/C18H24N2O5/c21-16(12-3-1-4-13(11-12)18(23)24)19-14-6-8-20(9-7-14)17(22)15-5-2-10-25-15/h2,5,10,12-14H,1,3-4,6-9,11H2,(H,19,21)(H,23,24)/t12-,13+/m1/s1
InChIKeyDBUFCHAPDSODHQ-OLZOCXBDSA-N
XLogP1.89
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(furan-2-carbonyl)-N-(4-hydroxycyclohexyl)piperidine-4-carboxamide
CID 17447551
N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46450591
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 45341263
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119277089
cyclobutyl-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 113005207
2-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 113083174
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 16589868
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
2-chloro-N-[1-(furan-2-carbonyl)piperidin-4-yl]benzamide
CID 46420508
1-(furan-2-carbonyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 18153582
2-amino-N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-phenylacetamide;hydrochloride
CID 119277094

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid (CID 129397980) is cis-(1S,3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)[C@H]1CCC[C@@H](C(=O)NC2CCN(C(=O)c3ccco3)CC2)C1.
What is the InChIKey of cis-(1S,3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is DBUFCHAPDSODHQ-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H24N2O5/c21-16(12-3-1-4-13(11-12)18(23)24)19-14-6-8-20(9-7-14)17(22)15-5-2-10-25-15/h2,5,10,12-14H,1,3-4,6-9,11H2,(H,19,21)(H,23,24)/t12-,13+/m1/s1.
What are the key properties of cis-(1S,3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid?
cis-(1S,3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 348.40 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[[1-(furan-2-carbonyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 129397980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).